(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C22H24N4O5 — CID 52539601

IUPAC(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C22H24N4O5/c1-30-18-9-7-15(8-10-18)23-20(27)19-6-3-11-26(19)21(28)24-16-4-2-5-17(14-16)25-12-13-31-22(25)29/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
InChIKeyAMGRVPZGCOZUGB-IBGZPJMESA-N
MW424.46 g/mol
LogP3.29
Rot. Bonds5

About (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 52539601) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID52539601
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C22H24N4O5/c1-30-18-9-7-15(8-10-18)23-20(27)19-6-3-11-26(19)21(28)24-16-4-2-5-17(14-16)25-12-13-31-22(25)29/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
InChIKeyAMGRVPZGCOZUGB-IBGZPJMESA-N
XLogP3.29
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide
CID 51115399
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 94441390
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
1-(3,5-dimethoxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-4-carboxamide
CID 55718979
tert-butyl (2S)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51126858

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 52539601) is (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1.
What is the InChIKey of (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is AMGRVPZGCOZUGB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O5/c1-30-18-9-7-15(8-10-18)23-20(27)19-6-3-11-26(19)21(28)24-16-4-2-5-17(14-16)25-12-13-31-22(25)29/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1.
What are the key properties of (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 52539601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).